UCSF

ZINC01432662

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 23 Yes

Popular Name: BRD-K98848284-001-04-9 BRD-K98848284-001-04-9

Find On: PubMed — Wikipedia — Google

Other Names:

BRD-K98848284-001-06-4

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.34 7.37 -10.35 3 5 0 77 325.393 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80874-1-O CEM (T-cell Leukemia) (cluster #1 Of 7), Other Other 9100 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80874 Z80874 CEM (T-cell Leukemia) 9100 0.31 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )